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121-14-2

Name 2,4-Dinitrotoluene
CAS 121-14-2
EINECS(EC#) 204-450-0
Molecular Formula C7H6N2O4
MDL Number MFCD00007172
Molecular Weight 182.13
MOL File 121-14-2.mol

Chemical Properties

Appearance solid
Melting point  67-70 °C(lit.)
Boiling point  300 °C
density  1,521 g/cm3
vapor pressure  1 mm Hg ( 102.7 °C)
refractive index  1.4420
Fp  155 °C
storage temp.  2-8°C
solubility  Soluble in acetone, ethanol, benzene, ether, and pyrimidine (Weast, 1986)
form  neat
pka 13.53 (Perrin, 1972)
Stability: Stable. Incompatible with oxidizing agents, reducing agents, strong bases.
Water Solubility  0.3 g/L (20 ºC)
BRN  1912834
Henry's Law Constant 5.39(x 10-8 atm?m3/mol) at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999)
InChIKey RMBFBMJGBANMMK-UHFFFAOYSA-N
CAS DataBase Reference 121-14-2(CAS DataBase Reference)
IARC 2B (Vol. 65) 1996
NIST Chemistry Reference Benzene, 1-methyl-2,4-dinitro-(121-14-2)
EPA Substance Registry System 121-14-2(EPA Substance)

Safety Data

Hazard Codes  T,N,F
Risk Statements 
R45:May cause cancer.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R48/22:Harmful: danger of serious damage to health by prolonged exposure if swallowed .
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R62:Possible risk of impaired fertility.
R68:Possible risk of irreversible effects.
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R11:Highly Flammable.
Safety Statements 
S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36/37:Wear suitable protective clothing and gloves .
RIDADR  UN 3454 6.1/PG 2
WGK Germany  3
RTECS  XT1575000
TSCA  Yes
HazardClass  6.1
PackingGroup  II
HS Code  29042030
Safety Profile
Suspected carcinogen with experimental carcinogenic and neoplastigenic data. Poison by ingestion and subcutaneous routes. Experimental reproductive effects. A skin irritant. Mutation data reported. An irritant and an allergen. Can cause anemia, methemoglobinemia, cyanosis, and liver damage. Combustible when exposed to heat or flame; can react with oxidtzing materials. To fight fire, use water spray or mist, dry chemical. Decomposes when heated to 250℃. There are instances of explosion during manufacture or storage. Mixture with nitric acid is a hgh explosive. Mixture with sodtum carbonate can decompose with significant pressure increase at 210°C.Mixtures with other alkalies may have the same effect. Ignttes on contact with sodium oxide. When heated to decomposition it emits toxic fumes of NOx
Hazardous Substances Data 121-14-2(Hazardous Substances Data)
Toxicity
Acute oral LD50 for mice 790 mg/kg, rats 268 mg/kg, guinea pigs 1.30 g/kg (quoted, RTECS, 1985).

Hazard Information

Material Safety Data Sheet(MSDS)

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